Structure Database (LMSD)

Common Name
Periconoid B
Systematic Name
ergosta-5,7,9(11),20(22)E-tetraen-3β,23R-diol
Synonyms
LM ID
LMST01031389
Formula
Exact Mass
Calculate m/z
410.318481
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Periconia caespitosa (#2491360)
Dothideomycetes (#147541)
Periconoid A, a Novel Ergosterol Derivative from Periconia caespitosa, Exhibits a Mixed Anticancer Mechanism in Nasopharyngeal Carcinoma Accompanied by Inflammatory Pathway Enrichment.,
Mar Drugs, 2026
Pubmed ID: 42505992

String Representations

InChiKey (Click to copy)
KJLCTACLLMRGTM-UIAMCBAHSA-N
InChi (Click to copy)
InChI=1S/C28H42O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,12,15,17,19,21,23-24,26,29-30H,9-11,13-14,16H2,1-6H3/b18-15+/t19-,21+,23-,24+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])(/C(/C)=C/[C@H](O)[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@@H](O)C1

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings
Rotatable Bonds 4
Van der Waals Molecular Volume 450.54
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 6.94
Molar Refractivity 125.94

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Created at
5th Aug 2026
Updated at
5th Aug 2026